3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

C20H17N5O3 — CID 7217791

IUPAC3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1OC
InChIInChI=1S/C20H17N5O3/c1-27-17-8-6-14(11-18(17)28-2)20(26)22-15-5-3-4-13(10-15)16-7-9-19-23-21-12-25(19)24-16/h3-12H,1-2H3,(H,22,26)
InChIKeyUSDOPGGLWXCFHD-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.06
Rot. Bonds5

About 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7217791) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7217791
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1OC
InChIInChI=1S/C20H17N5O3/c1-27-17-8-6-14(11-18(17)28-2)20(26)22-15-5-3-4-13(10-15)16-7-9-19-23-21-12-25(19)24-16/h3-12H,1-2H3,(H,22,26)
InChIKeyUSDOPGGLWXCFHD-UHFFFAOYSA-N
XLogP3.06
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-3,4,5-trimethoxybenzamide
CID 9821437
2-(4-methoxyphenyl)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532425
3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
1H-1,2,4-Triazol-5-amine, 1-(3,4-dimethoxybenzoyl)-3-(3-pyridinyl)-
CID 970336
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
CID 16008532
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
1H-Pyrazolo[3,4-b]pyridine-4-carboxaMide, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-
CID 16598922
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 24769779
4-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068
N-[3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555957

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7217791) is 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The InChIKey is USDOPGGLWXCFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-17-8-6-14(11-18(17)28-2)20(26)22-15-5-3-4-13(10-15)16-7-9-19-23-21-12-25(19)24-16/h3-12H,1-2H3,(H,22,26).
What are the key properties of 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 375.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7217791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).